SCHEMBL5174872

SCHEMBL5174872

Cc1csc(NCc2ccc(N)c(O)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ HDAC4 P56524 1/20 0.49
▸ EP300 Q09472 1/20 0.49
▸ MEF2D Q14814 1/20 0.49
▸ ALPL P05186 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ PLAA Q9Y263 1/20 0.47
▸ SCD O00767 7/20 0.44
▸ GCK P35557 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5175169 0.78 RAB9A (0.44) RAB9ANPC1ALPLALPGPLAA
SCHEMBL5177261 0.76 HDAC4 (0.49) RAB9ANPC1HDAC4MEF2DALPL
SCHEMBL5175187 0.75 KDM4E (0.52) RAB9AALPLALPGPLAAKDM4E
SCHEMBL5176316 0.75 SMN1; SMN2 (0.48) RAB9ANPC1GCKKDM4EMEN1
SCHEMBL5175721 0.74 ALPL (0.51) RAB9AALPLALPGPLAAKDM4E
SCHEMBL5174315 0.74 NPSR1 (0.56) RAB9ANPC1ALPLALPGPLAA
SCHEMBL5176198 0.74 ALPL (0.55) RAB9ANPC1ALPLALPGPLAA
SCHEMBL16092998 0.74 RAB9A (0.77) RAB9ANPC1SCDMEN1GAA
SCHEMBL10591917 0.73 RAB9A (0.76) RAB9ANPC1HDAC4EP300MEF2D
SCHEMBL21232534 0.72 RAB9A (0.60) RAB9ANPC1HDAC4EP300MEF2D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives PROCTER & GAMBLE COMPANY, THE 2007-01-25 — — US claimed
EP-1746088-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives Wella Aktiengesellschaft (DE) 2007-01-24 — — EP claimed
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives PROCTER & GAMBLE COMPANY, THE 2007-01-25 — — US disclosed
WO-2007010463-A2 2-AMINO-5-AMINOMETHYL-PHENOL DERIVATIVES AND AGENT FOR COLORING KERATIN FIBERS COMPRISING THESE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-01-25 — — WO disclosed
EP-1746088-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives Wella Aktiengesellschaft (DE) 2007-01-24 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives KRT18, ALDH7A1, MKI67 RAB9A 3911/4885NPC1 4851/4885HDAC4 1354/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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